molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL2418809 |
|
IC50 |
= |
32.0 |
nM |
411.89 |
CC1CCCN(C(=O)c2nc(Nc3cc4c(cc3F)OCO4)sc2Cl)C1C |
Homo sapiens |
CHEMBL2422305 |
cell-based format |
CHEMBL2418807 |
OBDepict
CH
3
H
3
C
N
O
N
S
N
H
O
O
|
IC50 |
= |
80.0 |
nM |
359.45 |
CC1CCCN(C(=O)c2csc(Nc3ccc4c(c3)OCO4)n2)C1C |
Homo sapiens |
CHEMBL2422305 |
cell-based format |
CHEMBL2418811 |
OBDepict
Cl
F
N
H
S
N
H
3
C
N
O
H
H
3
C
H
CH
3
|
IC50 |
= |
100.0 |
nM |
381.9 |
Cc1sc(Nc2ccc(Cl)cc2F)nc1C(=O)N1CCC[C@H](C)[C@@H]1C |
Homo sapiens |
CHEMBL2422305 |
cell-based format |
CHEMBL2418808 |
OBDepict
H
3
C
CH
3
N
O
N
CH
3
S
N
H
F
O
O
|
IC50 |
= |
160.0 |
nM |
391.47 |
Cc1sc(Nc2cc3c(cc2F)OCO3)nc1C(=O)N1CCCC(C)C1C |
Homo sapiens |
CHEMBL2422305 |
cell-based format |
CHEMBL2418806 |
OBDepict
CH
3
H
3
C
N
O
N
S
N
H
H
3
C
|
IC50 |
= |
250.0 |
nM |
329.47 |
Cc1ccc(Nc2nc(C(=O)N3CCCC(C)C3C)cs2)cc1 |
Homo sapiens |
CHEMBL2422305 |
cell-based format |
CHEMBL2418810 |
OBDepict
CH
3
CH
3
N
O
N
CH
3
S
N
H
F
Cl
|
IC50 |
= |
250.0 |
nM |
381.9 |
Cc1sc(Nc2ccc(Cl)cc2F)nc1C(=O)N1CCCC(C)C1C |
Homo sapiens |
CHEMBL2422305 |
cell-based format |
CHEMBL4129809 |
OBDepict
N
Cl
O
H
H
N
H
NH
2
|
IC50 |
= |
282.0 |
nM |
367.88 |
N#Cc1ccc(O[C@@H]2c3ccccc3C[C@H]2N2CCC[C@@H](N)C2)c(Cl)c1 |
Homo sapiens |
CHEMBL4377108 |
cell-based format |
CHEMBL2418815 |
OBDepict
O
N
N
CH
3
CH
3
S
N
H
O
O
|
IC50 |
= |
316.0 |
nM |
407.5 |
Cc1sc(Nc2ccc3c(c2)OCO3)nc1C(=O)N1CCc2ccccc2C1C |
Homo sapiens |
CHEMBL2422305 |
cell-based format |
CHEMBL2418814 |
OBDepict
O
N
N
CH
3
S
N
H
O
O
|
IC50 |
= |
316.0 |
nM |
393.47 |
CC1c2ccccc2CCN1C(=O)c1csc(Nc2ccc3c(c2)OCO3)n1 |
Homo sapiens |
CHEMBL2422305 |
cell-based format |
CHEMBL4761535 |
OBDepict
H
3
C
HN
O
N
N
F
F
F
N
O
Cl
Cl
|
IC50 |
= |
370.0 |
nM |
445.23 |
CCNC(=O)c1cnn(-c2ccc(-n3ccc(Cl)c(Cl)c3=O)cc2)c1C(F)(F)F |
Homo sapiens |
CHEMBL4714754 |
cell-based format |
CHEMBL2418823 |
OBDepict
CH
3
N
O
N
S
N
H
O
O
|
IC50 |
= |
400.0 |
nM |
345.42 |
CC1CCN(C(=O)c2csc(Nc3ccc4c(c3)OCO4)n2)CC1 |
Homo sapiens |
CHEMBL2422305 |
cell-based format |
CHEMBL2418813 |
OBDepict
O
N
N
S
N
H
O
O
|
IC50 |
= |
500.0 |
nM |
379.44 |
O=C(c1csc(Nc2ccc3c(c2)OCO3)n1)N1CCc2ccccc2C1 |
Homo sapiens |
CHEMBL2422305 |
cell-based format |
CHEMBL2418818 |
OBDepict
H
3
C
N
O
N
S
N
H
CH
3
|
IC50 |
= |
630.0 |
nM |
315.44 |
Cc1ccc(Nc2nc(C(=O)N3CCC(C)CC3)cs2)cc1 |
Homo sapiens |
CHEMBL2422305 |
cell-based format |
CHEMBL4177187 |
OBDepict
H
3
C
O
O
N
N
F
F
F
N
H
O
Cl
Cl
Cl
|
IC50 |
= |
700.0 |
nM |
456.64 |
CCOC(=O)c1cnn(-c2ccc(NC(=O)C(Cl)=C(Cl)Cl)cc2)c1C(F)(F)F |
Homo sapiens |
CHEMBL4377098 |
single protein format |
CHEMBL4460029 |
OBDepict
H
3
C
S
HN
O
O
N
N
F
F
F
F
F
F
|
IC50 |
= |
720.0 |
nM |
449.38 |
Cc1ccc(S(=O)(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C(F)(F)F)cc2)cc1 |
Homo sapiens |
CHEMBL4377100 |
cell-based format |
CHEMBL2418824 |
OBDepict
H
3
C
N
H
S
N
N
O
H
3
C
|
IC50 |
= |
800.0 |
nM |
315.44 |
Cc1ccc(Nc2nc(C(=O)N3CCCCC3C)cs2)cc1 |
Homo sapiens |
CHEMBL2422305 |
cell-based format |
CHEMBL2418820 |
OBDepict
CH
3
O
N
H
S
N
N
O
H
3
C
|
IC50 |
= |
800.0 |
nM |
331.44 |
COc1ccc(Nc2nc(C(=O)N3CCC(C)CC3)cs2)cc1 |
Homo sapiens |
CHEMBL2422305 |
cell-based format |
CHEMBL2418819 |
OBDepict
CH
3
N
O
N
S
N
H
Cl
|
IC50 |
= |
800.0 |
nM |
335.86 |
CC1CCN(C(=O)c2csc(Nc3ccc(Cl)cc3)n2)CC1 |
Homo sapiens |
CHEMBL2422305 |
cell-based format |
CHEMBL2418812 |
OBDepict
Cl
F
N
H
S
N
H
3
C
N
O
H
H
3
C
H
CH
3
|
IC50 |
= |
1000.0 |
nM |
381.9 |
Cc1sc(Nc2ccc(Cl)cc2F)nc1C(=O)N1CCC[C@@H](C)[C@H]1C |
Homo sapiens |
CHEMBL2422305 |
cell-based format |